HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1541",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1539",
"results": [
{
"id": "jvasp-36836",
"created_at": "2022-09-04T14:37:56.413231Z",
"updated_at": "2022-09-04T14:37:56.413262Z",
"structure_string": "Pd2 Au2 O4\n1.0\n1.157758 2.742943 0.731745\n5.248566 -2.713752 1.868276\n0.052644 -0.020404 -6.429530\nPd Au O\n2 2 4\ndirect\n0.000001 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.264108 0.216934 0.528214 Au\n0.735894 0.783066 0.471786 Au\n0.564087 0.721444 0.128172 O\n0.902406 0.830384 0.804810 O\n0.097595 0.169616 0.195190 O\n0.435915 0.278556 0.871828 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pd",
"Au",
"O"
],
"chemical_system": "Au-O-Pd",
"density": 9.847965897392436,
"density_atomic": 0.07073157309288801,
"volume": 113.10366290728507,
"volume_molar": 8.514077231240769,
"formula_full": "Pd2 Au2 O4",
"formula_reduced": "PdAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6338825675,
"spacegroup": 12
},
{
"id": "jvasp-109516",
"created_at": "2022-09-04T14:38:27.270324Z",
"updated_at": "2022-09-04T14:38:27.270362Z",
"structure_string": "Co4 S6\n1.0\n5.016251 -0.002257 3.300630\n1.778111 4.690533 3.300630\n-0.003271 -0.002257 6.004742\nCo S\n4 6\ndirect\n0.850405 0.850403 0.850405 Co\n0.649596 0.649594 0.649596 Co\n0.350405 0.350404 0.350405 Co\n0.149596 0.149595 0.149595 Co\n0.554705 0.945294 0.250000 S\n0.945295 0.249999 0.554705 S\n0.250000 0.554704 0.945295 S\n0.750000 0.445294 0.054705 S\n0.054705 0.749999 0.445295 S\n0.445295 0.054704 0.750000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 5.028260497340819,
"density_atomic": 0.0707294587393795,
"volume": 141.38380496940488,
"volume_molar": 8.514331747101439,
"formula_full": "Co4 S6",
"formula_reduced": "Co2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.5086723600000003,
"spacegroup": 167
},
{
"id": "jvasp-56106",
"created_at": "2022-09-04T14:37:28.161374Z",
"updated_at": "2022-09-04T14:37:28.161394Z",
"structure_string": "As4 C3\n1.0\n4.625614 -0.000000 -0.000000\n0.000000 4.625614 0.000000\n-0.000000 0.000000 4.625614\nAs C\n4 3\ndirect\n0.728926 0.271073 0.271073 As\n0.271073 0.271073 0.728926 As\n0.271073 0.728926 0.271073 As\n0.728926 0.728926 0.728926 As\n0.000000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 7,
"nelements": 2,
"elements": [
"As",
"C"
],
"chemical_system": "As-C",
"density": 5.632694604602941,
"density_atomic": 0.07072775508383854,
"volume": 98.97104738730096,
"volume_molar": 8.514536836156521,
"formula_full": "As4 C3",
"formula_reduced": "As4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.585081,
"spacegroup": 215
},
{
"id": "jvasp-57334",
"created_at": "2022-09-04T14:37:39.859074Z",
"updated_at": "2022-09-04T14:37:39.859106Z",
"structure_string": "Na2 Al2 Mo4 O16\n1.0\n5.300361 0.000000 0.000000\n-2.650181 4.848842 -0.018852\n0.000000 -0.048472 13.203928\nNa Al Mo O\n2 2 4 16\ndirect\n0.921382 0.000000 0.750000 Na\n0.078618 0.000000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.637989 0.344560 0.621956 Mo\n0.362011 0.655440 0.378044 Mo\n0.706571 0.344560 0.121956 Mo\n0.293429 0.655440 0.878044 Mo\n0.250777 0.144196 0.613866 O\n0.609292 0.815664 0.953175 O\n0.929151 0.692354 0.080152 O\n0.252222 0.658656 0.254610 O\n0.236796 0.307645 0.419848 O\n0.406434 0.658656 0.754610 O\n0.749223 0.855804 0.386135 O\n0.070849 0.307646 0.919848 O\n0.106581 0.855804 0.886135 O\n0.206372 0.815663 0.453174 O\n0.893419 0.144196 0.113866 O\n0.390708 0.184336 0.046826 O\n0.793628 0.184337 0.546826 O\n0.747778 0.341344 0.745390 O\n0.593566 0.341344 0.245390 O\n0.763203 0.692355 0.580152 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Al",
"Mo",
"O"
],
"chemical_system": "Al-Mo-Na-O",
"density": 3.6195967039404375,
"density_atomic": 0.07072465054124558,
"volume": 339.344200591045,
"volume_molar": 8.514910591870619,
"formula_full": "Na2 Al2 Mo4 O16",
"formula_reduced": "NaAl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.076125133333333,
"spacegroup": 15
},
{
"id": "jvasp-25889",
"created_at": "2022-09-04T14:38:04.113023Z",
"updated_at": "2022-09-04T14:38:04.113042Z",
"structure_string": "N2 Cl2 O2 F8\n1.0\n5.416672 0.000000 -2.720374\n-1.366232 5.241541 -2.720374\n0.065795 0.085143 6.883898\nN Cl O F\n2 2 2 8\ndirect\n0.329283 0.329284 0.658569 N\n0.829283 0.829283 0.658570 N\n0.000874 0.500874 0.001750 Cl\n0.500874 0.000874 0.001749 Cl\n0.726884 0.726884 0.453769 O\n0.226884 0.226884 0.453768 O\n0.762393 0.970099 0.232494 F\n0.035235 0.535235 0.750964 F\n0.470099 0.262393 0.232493 F\n0.215727 0.035235 0.750964 F\n0.970099 0.470099 0.232493 F\n0.535235 0.715727 0.750964 F\n0.262393 0.762393 0.232493 F\n0.715727 0.215728 0.750964 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"N",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-N-O",
"density": 2.373144695049046,
"density_atomic": 0.07072319635046267,
"volume": 197.95485388731885,
"volume_molar": 8.515085673104766,
"formula_full": "N2 Cl2 O2 F8",
"formula_reduced": "NClOF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.0653631353571429,
"spacegroup": 108
},
{
"id": "jvasp-118563",
"created_at": "2022-09-04T14:38:51.139151Z",
"updated_at": "2022-09-04T14:38:51.139181Z",
"structure_string": "Mg1 I1 O2\n1.0\n2.990538 0.000000 0.000000\n0.000000 2.990538 0.000000\n0.000000 0.000000 6.324211\nMg I O\n1 1 2\ndirect\n0.500000 0.500000 0.558342 Mg\n0.000000 0.000000 0.102902 I\n0.000000 0.000000 0.482309 O\n0.500000 0.500000 0.866447 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"I",
"O"
],
"chemical_system": "I-Mg-O",
"density": 5.378846733043138,
"density_atomic": 0.07072207420341006,
"volume": 56.55942709620257,
"volume_molar": 8.515220781957249,
"formula_full": "Mg1 I1 O2",
"formula_reduced": "MgIO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6489580812500001,
"spacegroup": 99
},
{
"id": "jvasp-50835",
"created_at": "2022-09-04T14:36:56.932734Z",
"updated_at": "2022-09-04T14:36:56.932766Z",
"structure_string": "Li4 Cu4 S4\n1.0\n3.716991 -0.000000 0.000000\n0.000000 3.716800 0.000000\n0.000000 0.000000 12.282187\nLi Cu S\n4 4 4\ndirect\n0.250000 0.249901 0.076982 Li\n0.750000 0.749901 0.423018 Li\n0.250000 0.250100 0.576982 Li\n0.750000 0.750100 0.923018 Li\n0.250000 0.750128 0.249994 Cu\n0.750000 0.250128 0.250006 Cu\n0.250000 0.749872 0.749994 Cu\n0.750000 0.249872 0.750007 Cu\n0.750000 0.750069 0.121916 S\n0.250000 0.250069 0.378084 S\n0.750000 0.749931 0.621916 S\n0.250000 0.249931 0.878084 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 4.014364616047131,
"density_atomic": 0.07072042121505258,
"volume": 169.68224727493345,
"volume_molar": 8.51541981302313,
"formula_full": "Li4 Cu4 S4",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3758434833333334,
"spacegroup": 129
},
{
"id": "jvasp-22943",
"created_at": "2022-09-04T14:38:28.799493Z",
"updated_at": "2022-09-04T14:38:28.799521Z",
"structure_string": "Tl4 Sn4 F28\n1.0\n0.000000 8.753627 0.051295\n5.409093 0.000000 0.000000\n0.000000 -5.527696 -10.783338\nTl Sn F\n4 4 28\ndirect\n0.813638 0.762365 0.736710 Tl\n0.186362 0.262365 0.763290 Tl\n0.186362 0.237635 0.263290 Tl\n0.813638 0.737634 0.236710 Tl\n0.728720 0.235368 0.458564 Sn\n0.271281 0.735367 0.041436 Sn\n0.271280 0.764632 0.541437 Sn\n0.728720 0.264632 0.958564 Sn\n0.014735 0.746591 0.452418 F\n0.728489 0.048953 0.313826 F\n0.271511 0.548953 0.186174 F\n0.271511 0.951046 0.686174 F\n0.728489 0.451046 0.813826 F\n0.297261 0.464735 0.644477 F\n0.702739 0.535265 0.355523 F\n0.702739 0.964734 0.855523 F\n0.985265 0.246591 0.047582 F\n0.957050 0.115919 0.772065 F\n0.042950 0.615919 0.727936 F\n0.297261 0.035265 0.144477 F\n0.985265 0.253408 0.547582 F\n0.474442 0.173893 0.375810 F\n0.525559 0.826106 0.624190 F\n0.474441 0.326107 0.875810 F\n0.042951 0.884080 0.227936 F\n0.525559 0.673893 0.124190 F\n0.702280 0.427782 0.588395 F\n0.297720 0.927782 0.911605 F\n0.297720 0.572217 0.411605 F\n0.702280 0.072217 0.088395 F\n0.755526 0.591756 0.043736 F\n0.244475 0.091756 0.456265 F\n0.244475 0.408243 0.956265 F\n0.755526 0.908243 0.543736 F\n0.014735 0.753408 0.952418 F\n0.957050 0.384081 0.272065 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Sn",
"F"
],
"chemical_system": "F-Sn-Tl",
"density": 5.9510411312602445,
"density_atomic": 0.07072017308268277,
"volume": 509.0485278918995,
"volume_molar": 8.515449690655014,
"formula_full": "Tl4 Sn4 F28",
"formula_reduced": "TlSnF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-98077",
"created_at": "2022-09-04T14:36:07.348560Z",
"updated_at": "2022-09-04T14:36:07.348589Z",
"structure_string": "Li2 U3 P4 O20\n1.0\n5.236978 -0.027967 -0.842375\n-2.458904 6.253312 -0.569426\n-0.010787 -0.083965 12.562914\nLi U P O\n2 3 4 20\ndirect\n0.386149 0.926642 0.185795 Li\n0.613851 0.073357 0.814205 Li\n0.882605 0.847918 0.631607 U\n0.117395 0.152080 0.368393 U\n0.000000 0.500000 -0.000000 U\n0.520602 0.421899 0.185819 P\n0.011751 0.667277 0.358059 P\n0.988249 0.332721 0.641941 P\n0.479398 0.578100 0.814181 P\n0.842996 0.175562 0.712892 O\n0.233712 0.955161 0.713818 O\n0.689311 0.560717 0.302579 O\n0.016256 0.811614 0.461188 O\n0.310689 0.439281 0.697421 O\n0.883252 0.511150 0.625666 O\n0.280364 0.623347 0.879137 O\n0.687600 0.782765 0.789190 O\n0.116748 0.488849 0.374333 O\n0.463572 0.243620 0.446391 O\n0.619067 0.436828 0.868235 O\n0.380933 0.563170 0.131764 O\n0.536428 0.756379 0.553608 O\n0.719636 0.376651 0.120862 O\n0.766288 0.044837 0.286181 O\n0.943232 0.220056 0.952665 O\n0.983743 0.188384 0.538812 O\n0.312400 0.217234 0.210809 O\n0.056768 0.779942 0.047334 O\n0.157004 0.824437 0.287108 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Li",
"U",
"P",
"O"
],
"chemical_system": "Li-O-P-U",
"density": 4.745291659499661,
"density_atomic": 0.07071949124853041,
"volume": 410.07082330506205,
"volume_molar": 8.515531791421282,
"formula_full": "Li2 U3 P4 O20",
"formula_reduced": "Li2U3(PO5)4",
"formula_anonymous": "A2B3C4D20",
"energy_above_hull": 3.4250979310344825,
"spacegroup": 2
},
{
"id": "jvasp-34733",
"created_at": "2022-09-04T14:37:10.729829Z",
"updated_at": "2022-09-04T14:37:10.729865Z",
"structure_string": "Si4 O8\n1.0\n4.592410 -0.000023 1.368214\n2.167217 4.467757 1.117036\n0.028292 0.165200 8.296093\nSi O\n4 8\ndirect\n0.701114 0.061882 0.313697 Si\n0.298886 0.938119 0.686302 Si\n0.923319 0.561864 0.813693 Si\n0.076681 0.438137 0.186307 Si\n0.854595 0.283815 0.320900 O\n0.459297 0.216220 0.179103 O\n0.004309 0.249992 0.749994 O\n0.995690 0.750009 0.250005 O\n0.145405 0.716186 0.679100 O\n0.540703 0.783781 0.820896 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.351911573932533,
"density_atomic": 0.0707183535042739,
"volume": 169.68720855859257,
"volume_molar": 8.515668792594344,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3913818666666669,
"spacegroup": 15
},
{
"id": "jvasp-7899",
"created_at": "2022-09-04T14:37:09.522074Z",
"updated_at": "2022-09-04T14:37:09.522095Z",
"structure_string": "W1 O3\n1.0\n3.838654 -0.000000 0.000000\n0.000000 3.838654 0.000000\n-0.000000 -0.000000 3.838654\nW O\n1 3\ndirect\n0.000000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.80608217680479,
"density_atomic": 0.07071687911139743,
"volume": 56.56358213572975,
"volume_molar": 8.51584633777965,
"formula_full": "W1 O3",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2422626250000004,
"spacegroup": 221
},
{
"id": "jvasp-11304",
"created_at": "2022-09-04T14:36:33.654801Z",
"updated_at": "2022-09-04T14:36:33.654830Z",
"structure_string": "Mo2 F10\n1.0\n5.050690 -0.627274 1.049642\n-2.182199 4.847936 0.562973\n0.450607 -1.775573 7.052529\nMo F\n2 10\ndirect\n0.002653 -0.000136 0.998823 Mo\n0.502643 -0.000139 0.498820 Mo\n0.687165 0.865843 0.248609 F\n0.318123 0.133885 0.749042 F\n0.586223 0.316773 0.369231 F\n0.189319 0.803561 0.048756 F\n0.236093 0.317619 0.130086 F\n0.883557 0.196644 0.551877 F\n0.769216 0.682111 0.867550 F\n0.121729 0.803095 0.445774 F\n0.815981 0.196155 0.948891 F\n0.419059 0.682952 0.628413 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 3.736727602894061,
"density_atomic": 0.07071553556795424,
"volume": 169.69397040723217,
"volume_molar": 8.516008132630223,
"formula_full": "Mo2 F10",
"formula_reduced": "MoF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.5516528854166663,
"spacegroup": 15
}
]
}